CAS RN: 23146-06-7
7-(3-bromopropyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260212 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS23146-06-7
- Purity/Analytical Methods: >99.0%
23146-06-7 / 7-(3-bromopropyl)-1,3-dimethylpurine-2,6-dione
Basic Information
CAS
23146-06-7
Multi CAS
No
Molecular Formula
C10H13BrN4O2
Molecular Weight
301.140000
Exact Mass
300.022190
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCBr
InChI
InChI=1S/C10H13BrN4O2/c1-13-8-7(9(16)14(2)10(13)17)15(6-12-8)5-3-4-11/h6H,3-5H2,1-2H3
InChIKey
IXYPCFPAFIVIGP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
6
Molar refractivity
68.63
TPSA
61.82
LogP / Solubility
WLOGP
0.22
MLOGP
0.2
XLogP3
0.6
Consensus LogP
0.34
Log S (ESOL)
-2.04
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.19
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.16
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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